CID 476093

2-[2-amino-6-[3-(dimethylamino)propylamino]purin-9-yl]ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C13H24N7O4P
SMILES
CN(C)CCCNC1=C2C(=NC(=N1)N)N(C=N2)CCOCP(=O)(O)O
InChI
InChI=1S/C13H24N7O4P/c1-19(2)5-3-4-15-11-10-12(18-13(14)17-11)20(8-16-10)6-7-24-9-25(21,22)23/h8H,3-7,9H2,1-2H3,(H2,21,22,23)(H3,14,15,17,18)
InChIKey
CJMNJKWJKQVCPP-UHFFFAOYSA-N
Compound name
2-[2-amino-6-[3-(dimethylamino)propylamino]purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.16275 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17003 184.8
[M+Na]+ 396.15197 190.3
[M-H]- 372.15547 182.1
[M+NH4]+ 391.19657 193.1
[M+K]+ 412.12591 188.7
[M+H-H2O]+ 356.16001 173.1
[M+HCOO]- 418.16095 208.7
[M+CH3COO]- 432.17660 223.6
[M+Na-2H]- 394.13742 187.4
[M]+ 373.16220 189.3
[M]- 373.16330 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.